CHEMBL1259112
SMILES | CN1CCN(C2Cc3ccccc3Sc3ccc(C#N)cc32)CC1 |
InChIKey | PSBWDCHOGUBLQH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 1 |
Molecular weight (Da) | 335.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 10.06 | 10.06 | 10.06 | ChEMBL |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 10.02 | 10.02 | 10.02 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.85 | 8.85 | 8.85 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 10.08 | 10.08 | 10.08 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |